Vitas-M small molecule compound
2-(4-bromophenoxy)-3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK881391
SMILES CCCCN1C(=S)S/C(=C\c2c(Oc3ccc(cc3)Br)nc3n(c2=O)cccc3)/C1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H18BrN3O3S2 MW 516.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O3S2/c1-2-3-11-26-21(28)17(31-22(26)30)13-16-19(29-15-9-7-14(23)8-10-15)24-18-6-4-5-12-25(18)20(16)27/h4-10,12-13H,2-3,11H2,1H3/b17-13-InChIKey
KQOXQUIVABNPII-LGMDPLHJSA-NSynonyms
796881-08-8(5Z)5((2(4BROMOPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3BUTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4bromophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3butyl2thioxothiazolidin4one
2(4bromophenoxy)3((Z)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
796881088
CCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)OC4=CC=C(C=C4)Br)SC1=S
CCCCN1C(=S)SC(=Cc2c(Oc3ccc(cc3)Br)nc3n(c2=O)cccc3)C1=O
InChI=1SC22H18BrN3O3S2c123112621(28)17(3122(26)30)131619(29159714(23)81015)24186451225(18)20(16)27h4101213H2311H21H3b1713
MFCD03670414
ZINC000002201967
ZINC2201967
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